4-Cyclopropylpyridine - CAS 4904-21-6
Catalog: |
BB068802 |
Product Name: |
4-Cyclopropylpyridine |
CAS: |
4904-21-6 |
Synonyms: |
4-cyclopropylpyridine; 4-CYCLOPROPYL-PYRIDINE |
IUPAC Name: | 4-cyclopropylpyridine |
Description: | 4-Cyclopropylpyridine could be a useful compound for preparing COX-2 inhibitors with anti-pyretic and anti-inflammatory activity. |
Molecular Weight: | 119.16 |
Molecular Formula: | C8H9N |
Canonical SMILES: | C1CC1C2=CC=NC=C2 |
InChI: | InChI=1S/C8H9N/c1-2-7(1)8-3-5-9-6-4-8/h3-7H,1-2H2 |
InChI Key: | WLQVBFDHWAVUJN-UHFFFAOYSA-N |
References: | Hayashi, S., et al. Biochemical Pharmacology, 82, 755 (2011). |
Complexity: | 90.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.073499291 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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